Title : ( Synthesis, experimental and theoretical characterization of N,N′-dipyridoxyl (1,4-butanediamine) Schiff-base ligand and its Cu(II) complex )
Authors: Hossein Eshtiagh Hosseini , Mohammad Reza Housaindokht , S. Ali Beyramabadi , sayyed hamid mir tabatabae , Abbas Ali Esmaeili , Malihe Javan Khoshkholgh ,
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Abstract
A new N,N-dipyridoxyl(1,4-butanediamine) [=H2BS] Schiff-base ligand and its Cu(II) salen complex, [Cu(BS)(H2O)(CH3OH)], were synthesized and characterized by IR, UV–vis, 1H NMR, mass spectrometry and elemental analysis. Also, full optimization of the geometries, 1H NMR chemical shifts (for the H2BS) and vibrational frequencies were calculated by using density functional theory (DFT) method. Structure of the H2BS ligand is not planar, i.e. two pyridine rings are not in the same plane. In the structure of the Cu complex, the Schiff-base ligand acts as a dianionic tetradentate ligand in N, N, O−, O− manner. The coordinating atoms of BS2− occupy equatorial positions of the octahedral complex, where the H2O and CH3OH ligands locate at axial positions. The calculated results are in good agreement with the experimental data, confirming the suitability of the proposed and optimized structures for the H2BS ligand and its Cu complex.
Keywords
, Schiff, base Salen Copper IR assignment NMR DFT
@article{paperid:1021244,
author = {Eshtiagh Hosseini, Hossein and Housaindokht, Mohammad Reza and S. Ali Beyramabadi and Mir Tabatabae, Sayyed Hamid and Esmaeili, Abbas Ali and Malihe Javan Khoshkholgh},
title = {Synthesis, experimental and theoretical characterization of N,N′-dipyridoxyl (1,4-butanediamine) Schiff-base ligand and its Cu(II) complex},
journal = {Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy},
year = {2011},
volume = {78},
number = {78},
month = {February},
issn = {1386-1425},
pages = {1046--1050},
numpages = {4},
keywords = {Schiff-base
Salen
Copper
IR assignment
NMR
DFT},
}
%0 Journal Article
%T Synthesis, experimental and theoretical characterization of N,N′-dipyridoxyl (1,4-butanediamine) Schiff-base ligand and its Cu(II) complex
%A Eshtiagh Hosseini, Hossein
%A Housaindokht, Mohammad Reza
%A S. Ali Beyramabadi
%A Mir Tabatabae, Sayyed Hamid
%A Esmaeili, Abbas Ali
%A Malihe Javan Khoshkholgh
%J Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
%@ 1386-1425
%D 2011
